8E1O
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![BU of 8e1o by Molmil](/molmil-images/mine/8e1o) | Crystal structure of hTEAD2 bound to a methoxypyridine lipid pocket binder | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methoxy-N-({3-[2-(methylamino)-2-oxoethyl]phenyl}methyl)-4-{(E)-2-[trans-4-(trifluoromethyl)cyclohexyl]ethenyl}pyridine-2-carboxamide, Transcriptional enhancer factor TEF-4 | 著者 | Noland, C.L, Dey, A, Zbieg, J, Crawford, J. | 登録日 | 2022-08-10 | 公開日 | 2023-08-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Targeting the Hippo pathway in cancers via ubiquitination dependent TEAD degradation Biorxiv, 2024
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5IZA
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![BU of 5iza by Molmil](/molmil-images/mine/5iza) | Protein-protein interaction | 分子名称: | ACE-GLY-GLY-GLU-ALA-LEU-ALA-TRP-NH2, Adenomatous polyposis coli protein | 著者 | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | 登録日 | 2016-03-25 | 公開日 | 2017-07-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat. Chem. Biol., 13, 2017
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6NAO
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![BU of 6nao by Molmil](/molmil-images/mine/6nao) | Discovery of a high affinity inhibitor of cGAS | 分子名称: | (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION | 著者 | Hall, J. | 登録日 | 2018-12-06 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.23 Å) | 主引用文献 | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay. PLoS ONE, 12, 2017
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4AWO
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![BU of 4awo by Molmil](/molmil-images/mine/4awo) | Complex of HSP90 ATPase domain with tropane derived inhibitors | 分子名称: | 5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Lougheed, J.C, Stout, T.J. | 登録日 | 2012-06-05 | 公開日 | 2012-08-29 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90. Bioorg.Med.Chem.Lett., 22, 2012
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4AWQ
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![BU of 4awq by Molmil](/molmil-images/mine/4awq) | Complex of HSP90 ATPase domain with tropane derived inhibitors | 分子名称: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide | 著者 | Lougheed, J.C, Stout, T.J. | 登録日 | 2012-06-05 | 公開日 | 2012-08-29 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90. Bioorg.Med.Chem.Lett., 22, 2012
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4AWP
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8PMQ
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![BU of 8pmq by Molmil](/molmil-images/mine/8pmq) | Catalytic module of yeast GID E3 ligase bound to multiphosphorylated Ubc8~ubiquitin | 分子名称: | E3 ubiquitin-protein ligase RMD5, Protein FYV10, Ubiquitin, ... | 著者 | Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A. | 登録日 | 2023-06-29 | 公開日 | 2024-01-03 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (3.53 Å) | 主引用文献 | Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies. Mol.Cell, 84, 2024
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4XHR
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![BU of 4xhr by Molmil](/molmil-images/mine/4xhr) | Structure of a phospholipid trafficking complex, native | 分子名称: | Mitochondrial distribution and morphology protein 35, Protein UPS1, mitochondrial | 著者 | Yu, F, He, F, Wang, C, Zhang, P. | 登録日 | 2015-01-06 | 公開日 | 2015-07-01 | 最終更新日 | 2015-08-05 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structural basis of intramitochondrial phosphatidic acid transport mediated by Ups1-Mdm35 complex Embo Rep., 16, 2015
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8JLX
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![BU of 8jlx by Molmil](/molmil-images/mine/8jlx) | CCHFV envelope protein Gc in complex with Gc13 | 分子名称: | Glycoprotein C,CCHFV Gc fusion loops, Mouse antibody Gc13 heavy chain, Mouse antibody Gc13 light chain | 著者 | Chong, T, Cao, S. | 登録日 | 2023-06-03 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-28 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Neutralizing monoclonal antibodies against the Gc fusion loop region of Crimean-Congo hemorrhagic fever virus. Plos Pathog., 20, 2024
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4HXN
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![BU of 4hxn by Molmil](/molmil-images/mine/4hxn) | Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor | 分子名称: | 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4 | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | 登録日 | 2012-11-12 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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4HXK
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![BU of 4hxk by Molmil](/molmil-images/mine/4hxk) | Brd4 Bromodomain 1 complex with 6,7-DIHYDROTHIENO[3,2-C]PYRIDIN-5(4H)-YL(1H-IMIDAZOL-1-YL)METHANONE inhibitor | 分子名称: | 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone, Bromodomain-containing protein 4 | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | 登録日 | 2012-11-12 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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4HXR
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![BU of 4hxr by Molmil](/molmil-images/mine/4hxr) | Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]THIOPHENE-2-SULFONAMIDE inhibitor | 分子名称: | Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | 登録日 | 2012-11-12 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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5Y9F
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5B6G
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![BU of 5b6g by Molmil](/molmil-images/mine/5b6g) | Protein-protein interaction | 分子名称: | Adenomatous polyposis coli protein, GLYCEROL, PHQ-ALA-GLY-GLU-ALA-XYC-TYR-GLU, ... | 著者 | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | 登録日 | 2016-05-27 | 公開日 | 2017-05-31 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat. Chem. Biol., 13, 2017
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4HXS
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![BU of 4hxs by Molmil](/molmil-images/mine/4hxs) | Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]-1-PHENYLMETHANESULFONAMIDE inhibitor | 分子名称: | Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | 登録日 | 2012-11-12 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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5Y9C
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5Y9E
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![BU of 5y9e by Molmil](/molmil-images/mine/5y9e) | Crystal structure of HPV58 pentamer | 分子名称: | GLYCEROL, MAGNESIUM ION, Major capsid protein L1 | 著者 | Li, S.W, Li, Z.H. | 登録日 | 2017-08-24 | 公開日 | 2017-10-25 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.042 Å) | 主引用文献 | Crystal Structures of Two Immune Complexes Identify Determinants for Viral Infectivity and Type-Specific Neutralization of Human Papillomavirus. MBio, 8, 2017
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8JLW
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![BU of 8jlw by Molmil](/molmil-images/mine/8jlw) | CCHFV envelope protein Gc in complex with Gc8 | 分子名称: | Glycoprotein C,CCHFV envelope protein Gc fusion loops, Mouse antibody Gc8 heavy chain, Mouse antibody Gc8 light chain | 著者 | Chong, T, Cao, S. | 登録日 | 2023-06-03 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-28 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Neutralizing monoclonal antibodies against the Gc fusion loop region of Crimean-Congo hemorrhagic fever virus. Plos Pathog., 20, 2024
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8JKD
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3I81
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![BU of 3i81 by Molmil](/molmil-images/mine/3i81) | Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with BMS-754807 [1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2-methyl-L-prolinamide] | 分子名称: | 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli namide, Insulin-like growth factor 1 receptor | 著者 | Sack, J.S. | 登録日 | 2009-07-09 | 公開日 | 2009-12-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development. J.Med.Chem., 52, 2009
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7LEW
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![BU of 7lew by Molmil](/molmil-images/mine/7lew) | Crystal structure of UBE2G2 in complex with the UBE2G2-binding region of AUP1 | 分子名称: | Lipid droplet-regulating VLDL assembly factor AUP1, Ubiquitin-conjugating enzyme E2 G2 | 著者 | Liang, Y.-H, Smith, C.E, Tsai, Y.C, Weissman, A.M, Ji, X. | 登録日 | 2021-01-15 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.736 Å) | 主引用文献 | A structurally conserved site in AUP1 binds the E2 enzyme UBE2G2 and is essential for ER-associated degradation. Plos Biol., 19, 2021
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8HVS
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7V29
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![BU of 7v29 by Molmil](/molmil-images/mine/7v29) | Crystal structure of FGFR4 with a dual-warhead covalent inhhibitor | 分子名称: | Fibroblast growth factor receptor 4, N-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide, SULFATE ION | 著者 | Chen, X.J, Jiang, L.Y, Dai, S.Y, Qu, L.Z, Chen, Y.H. | 登録日 | 2021-08-07 | 公開日 | 2022-03-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.983 Å) | 主引用文献 | Structure-based design of a dual-warhead covalent inhibitor of FGFR4. Commun Chem, 5, 2022
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4HXM
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![BU of 4hxm by Molmil](/molmil-images/mine/4hxm) | Brd4 Bromodomain 1 complex with N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}BUTANAMIDE inhibitor | 分子名称: | Bromodomain-containing protein 4, N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | 登録日 | 2012-11-12 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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4HXL
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![BU of 4hxl by Molmil](/molmil-images/mine/4hxl) | Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor | 分子名称: | 3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide, Bromodomain-containing protein 4 | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | 登録日 | 2012-11-12 | 公開日 | 2013-04-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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